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CHEBI:157554 - CID 146017650

Default Structure
ChEBI IDCHEBI:157554
ChEBI NameCID 146017650
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O82
Net Charge0
Average Mass2954.678
Monoisotopic Mass2953.04740
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-1-4-5-3-1-4-1-4-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_e4-f1_f3-g1_g4-h1_h6-i2_j2-k1_k4-l1_l3-m1_m4-n1_n6-o2
InChIInChI=1S/C112H184N8O82/c1-26(133)113-51-34(141)9-111(109(170)171,201-89(51)59(145)36(143)11-121)175-24-49-63(149)74(160)78(164)102(188-49)191-84-43(18-128)183-98(55(70(84)156)117-30(5)137)196-91-65(151)40(15-125)178-104(80(91)166)193-86-46(21-131)185-100(57(72(86)158)119-32(7)139)199-94-76(162)61(147)38(13-123)180-107(94)174-23-48-67(153)93(82(168)106(187-48)195-88-45(20-130)182-97(54(69(88)155)116-29(4)136)190-83-42(17-127)177-96(169)53(68(83)154)115-28(3)135)198-108-95(77(163)62(148)39(14-124)181-108)200-101-58(120-33(8)140)73(159)87(47(22-132)186-101)194-105-81(167)92(66(152)41(16-126)179-105)197-99-56(118-31(6)138)71(157)85(44(19-129)184-99)192-103-79(165)75(161)64(150)50(189-103)25-176-112(110(172)173)10-35(142)52(114-27(2)134)90(202-112)60(146)37(144)12-122/h34-108,121-132,141-169H,9-25H2,1-8H3,(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,170,171)(H,172,173)/t34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-,75-,76-,77-,78+,79+,80+,81+,82-,83+,84+,85+,86+,87+,88+,89+,90+,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,111+,112+/m0/s1
InChIKeyGOBOQMRNCAWRPK-VXBSXTDDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017650 (CHEBI:157554) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G06594DVGlyTouCan
G06594DVGlyGen